N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[2-(3,5-dimethyl-1-pyrazolyl)phenyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NN1C2=CC=CC=C2NC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C19H18N4O3S/c1-13-11-14(2)22(21-13)18-6-4-3-5-17(18)20-19(24)12-27-16-9-7-15(8-10-16)23(25)26/h3-11H,12H2,1-2H3,(H,20,24)